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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H13BrO2
Molecular Weight 209.081
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Bromomethyl)hexanoic acid, (3R)-

SMILES

CCC[C@@H](CBr)CC(O)=O

InChI

InChIKey=XUBVYXDJGCTGTL-ZCFIWIBFSA-N
InChI=1S/C7H13BrO2/c1-2-3-6(5-8)4-7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Hexanoic acid, 3-(bromomethyl)-, (3R)-
Preferred Name English
3-(Bromomethyl)hexanoic acid, (3R)-
Common Name English
(3R)-3-(Bromomethyl)hexanoic acid
Systematic Name English
(R)-3-(Bromomethyl)hexanoic acid ethyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
36VHA836JV
Created by admin on Wed Apr 02 21:25:59 GMT 2025 , Edited by admin on Wed Apr 02 21:25:59 GMT 2025
PRIMARY
PUBCHEM
124093013
Created by admin on Wed Apr 02 21:25:59 GMT 2025 , Edited by admin on Wed Apr 02 21:25:59 GMT 2025
PRIMARY
SMS_ID
300000054162
Created by admin on Wed Apr 02 21:25:59 GMT 2025 , Edited by admin on Wed Apr 02 21:25:59 GMT 2025
PRIMARY
CAS
1942054-60-5
Created by admin on Wed Apr 02 21:25:59 GMT 2025 , Edited by admin on Wed Apr 02 21:25:59 GMT 2025
PRIMARY
NIH
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